SCHEMBL3928894

SCHEMBL3928894

NCCc1ccc(-c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 5/20 0.63
▸ PRKACA P17612 2/20 0.42
▸ PRKACG P22612 2/20 0.42
▸ PRKACB P22694 2/20 0.42
▸ MAOB P27338 6/20 0.38
▸ F9 P00740 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAAR1 Q96RJ0 6/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3928813 0.83 AKT2 (0.67) AKT2PRKACAPRKACGPRKACBTAAR1
SCHEMBL3928244 0.81 AKT2 (0.64) AKT2PRKACAPRKACGPRKACBF9
SCHEMBL3928174 0.79 AKT2 (0.43) AKT2PRKACAPRKACGPRKACB
SCHEMBL5266061 0.77 MAPK1 (0.50) AKT2PRKACAPRKACGPRKACBL3MBTL1
SCHEMBL2938674 0.77 JAK2 (0.54) AKT2PRKACAPRKACGPRKACBTSHR
SCHEMBL5266064 0.74 AKT2 (0.49) AKT2PRKACAPRKACGPRKACBLMNA
SCHEMBL30010051 0.74 LMNA (0.49) AKT2PRKACAPRKACGPRKACBLMNA
SCHEMBL1900509 0.74 NEK2 (0.38) AKT2PRKACAPRKACGPRKACB
SCHEMBL30009531 0.72 KMT2A (0.46) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL13137112 0.72 GRIN2B (0.44) AKT2PRKACAPRKACGPRKACBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
CN-101484173-A Pharmaceutical combinations of pk inhibitors and other active agents ASTEX THERAPEUTICS LTD (GB) 2009-07-15 — — CN disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 — — US disclosed
EP-2037931-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS Astex Therapeutics Limited (GB) 2009-03-25 — — EP disclosed
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 — — EP disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
WO-2007125310-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 AKT2 153/4885PRKACA 684/4885PRKACG 540/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885PRKACA 233/4885PRKACG 330/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 AKT2 999/4885PRKACA 632/4885PRKACG 530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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